orbital_charges     :real:2:4,3
  0.173422227644223E+001  0.168106179894377E+001  0.117732558791690E+001
  0.200000000000000E+001  0.703695168350260E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.703695168346841E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,3
  0.215372061819200E-025 -0.260084695447027E-008  0.147619069745808E-010
  0.113862562707686E-015  0.129497991496752E-008 -0.334670346990862E-008
 -0.113862562729224E-015  0.130586701174717E-008  0.333194155599514E-008
mermin_energy       :real:0:
 -0.407793793387759E+001
end_coords          :real:2:3,3
  0.161509208188480E-025 -0.135306365456256E+001 -0.115140698107625E-010
  0.489145243154599E-015 -0.268331167003940E+000  0.147112697153408E+001
 -0.489145243170750E-015 -0.268331167012425E+000 -0.147112697152257E+001
